N,N-dimethylacetamide;2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile

C11H15N3O3 — CID 139061924

IUPACN,N-dimethylacetamide;2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile
SMILESCC(=O)N(C)C.Cc1cc(=O)[nH]c(O)c1C#N
InChIInChI=1S/C7H6N2O2.C4H9NO/c1-4-2-6(10)9-7(11)5(4)3-8;1-4(6)5(2)3/h2H,1H3,(H2,9,10,11);1-3H3
InChIKeyAKFCGWBHIHCQNH-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.36
Rot. Bonds

About N,N-dimethylacetamide;2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile

N,N-dimethylacetamide;2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile (PubChem CID 139061924) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is N,N-dimethylacetamide;2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound NameN,N-dimethylacetamide;2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile
PubChem CID139061924
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC NameN,N-dimethylacetamide;2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile
SMILESCC(=O)N(C)C.Cc1cc(=O)[nH]c(O)c1C#N
InChIInChI=1S/C7H6N2O2.C4H9NO/c1-4-2-6(10)9-7(11)5(4)3-8;1-4(6)5(2)3/h2H,1H3,(H2,9,10,11);1-3H3
InChIKeyAKFCGWBHIHCQNH-UHFFFAOYSA-N
XLogP0.36
TPSA97.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylacetamide;2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of N,N-dimethylacetamide;2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile (CID 139061924) is N,N-dimethylacetamide;2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for N,N-dimethylacetamide;2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for N,N-dimethylacetamide;2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile is CC(=O)N(C)C.Cc1cc(=O)[nH]c(O)c1C#N.
What is the InChIKey of N,N-dimethylacetamide;2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is AKFCGWBHIHCQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O2.C4H9NO/c1-4-2-6(10)9-7(11)5(4)3-8;1-4(6)5(2)3/h2H,1H3,(H2,9,10,11);1-3H3.
What are the key properties of N,N-dimethylacetamide;2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile?
N,N-dimethylacetamide;2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 237.26 g/mol, XLogP of 0.36, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylacetamide;2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 139061924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).